1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone

C22H25N3OS — CID 3072002

IUPAC1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone
SMILESCC(=O)C1=NN(c2ccccc2)C(Cc2ccccc2)(N2CCCCC2)S1
InChIInChI=1S/C22H25N3OS/c1-18(26)21-23-25(20-13-7-3-8-14-20)22(27-21,24-15-9-4-10-16-24)17-19-11-5-2-6-12-19/h2-3,5-8,11-14H,4,9-10,15-17H2,1H3
InChIKeyZGVLCQSILMLAAX-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.52
Rot. Bonds5

About 1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone

1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone (PubChem CID 3072002) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone
PubChem CID3072002
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone
SMILESCC(=O)C1=NN(c2ccccc2)C(Cc2ccccc2)(N2CCCCC2)S1
InChIInChI=1S/C22H25N3OS/c1-18(26)21-23-25(20-13-7-3-8-14-20)22(27-21,24-15-9-4-10-16-24)17-19-11-5-2-6-12-19/h2-3,5-8,11-14H,4,9-10,15-17H2,1H3
InChIKeyZGVLCQSILMLAAX-UHFFFAOYSA-N
XLogP4.52
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)-
CID 5761870
Ethanone, 1-(5-(4-morpholinyl)-4-phenyl-5-(phenylmethyl)-4,5-dihydro-1,3,4-selenadiazol-2-yl)-
CID 3074423
Ethanone, 1-(4,5-dihydro-4-phenyl-5-(phenylmethyl)-5-(1-piperidinyl)-1,3,4-selenadiazol-2-yl)-
CID 3076058
4-[3,5-Diphenyl-2-(trifluoromethyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]morpholine
CID 132277211
1-[4-Phenyl-5-(piperidin-1-yl)-5-(1,1,2,2-tetrafluoroethyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]ethanone
CID 132277555
4-[2-(Heptafluoropropyl)-3,5-diphenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]morpholine
CID 132278760
1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone
CID 4169133
Ethyl 5-(morpholin-4-yl)-4,5-diphenyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
CID 132278665
1,1'-(8-Methyl-9-phenyl-1-(o-tolyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl)diethanone
CID 2957575
1-(1,6,8-Triphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-dien-3-yl)ethanone
CID 3605680
1-[3-Acetyl-8,9-dimethyl-1-(4-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-dien-7-YL]ethan-1-one
CID 23605097
1,3,4-Thiadiazol-2-amine, 2,3-dihydro-N,N-dimethyl-2,3,5-triphenyl-
CID 563247

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone?
The IUPAC name of 1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone (CID 3072002) is 1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone?
The canonical SMILES for 1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone is CC(=O)C1=NN(c2ccccc2)C(Cc2ccccc2)(N2CCCCC2)S1.
What is the InChIKey of 1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone?
The InChIKey is ZGVLCQSILMLAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-18(26)21-23-25(20-13-7-3-8-14-20)22(27-21,24-15-9-4-10-16-24)17-19-11-5-2-6-12-19/h2-3,5-8,11-14H,4,9-10,15-17H2,1H3.
What are the key properties of 1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone?
1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone has a molecular weight of 379.53 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)ethanone is sourced from PubChem (CID 3072002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).